Geometry & MOs

Info

ID:	402458
PubChem CID:	135056037
Reduced:	NPO4C28H36 (1)
Stoich.:	ABC4D28E36 (1)
Weight, g/mol:	444.214803
ΔH_f, kcal/mol:	-189.26
Dipole, Da:	3.64
IP(EA), eV:	-9.03(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-naphthalen-2-ylethyl] 2-[4-hydroxy-2-(hydroxymethyl)-10-methoxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate

Drug info:

PubChemData

Smile

CCCCOC(=O)C[C@@](C)(C1=CC=CO1)NP(=O)(C2=CC(=CC(=C2)C)C)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations